5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide

C25H19N7O — CID 51030922

IUPAC5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cn1
InChIInChI=1S/C25H19N7O/c26-22(33)25-28-13-17(14-29-25)23-31-20-11-6-10-19(16-7-2-1-3-8-16)21(20)24(32-23)30-15-18-9-4-5-12-27-18/h1-14H,15H2,(H2,26,33)(H,30,31,32)
InChIKeyGYEMDCYWSZCBGX-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.86
Rot. Bonds6

About 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide

5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide (PubChem CID 51030922) has the molecular formula C25H19N7O and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide
PubChem CID51030922
Molecular FormulaC25H19N7O
Molecular Weight433.48 g/mol
Exact Mass433.17
IUPAC Name5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide
SMILESNC(=O)c1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cn1
InChIInChI=1S/C25H19N7O/c26-22(33)25-28-13-17(14-29-25)23-31-20-11-6-10-19(16-7-2-1-3-8-16)21(20)24(32-23)30-15-18-9-4-5-12-27-18/h1-14H,15H2,(H2,26,33)(H,30,31,32)
InChIKeyGYEMDCYWSZCBGX-UHFFFAOYSA-N
XLogP3.86
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-carbohydrazide
CID 67055923
2-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]propanamide
CID 51030081
2,2,2-trifluoro-N-[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]acetamide
CID 88891301
2-(2-ethynyl-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 122643344
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,3-thiazole-2-sulfinamide
CID 126518365
6-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrazine-2-sulfonamide
CID 51029627
ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide)
CID 159613466
5-phenyl-4-(pyridin-2-ylmethylamino)quinazoline-2-carbaldehyde
CID 86670619
N-methyl-5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-sulfinamide
CID 139377274
2-(1,1-dioxo-2H-pyrido[2,3-e][1,2,4]thiadiazin-2-ium-7-yl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 163978032
2-[5-(aminomethyl)-3-pyridinyl]-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N-[[5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-3-pyridinyl]methyl]methanesulfonamide
CID 159681048
2-nitro-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 151099303

Frequently Asked Questions

What is the IUPAC name of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide?
The IUPAC name of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide (CID 51030922) is 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide is NC(=O)c1ncc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)cn1.
What is the InChIKey of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide?
The InChIKey is GYEMDCYWSZCBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7O/c26-22(33)25-28-13-17(14-29-25)23-31-20-11-6-10-19(16-7-2-1-3-8-16)21(20)24(32-23)30-15-18-9-4-5-12-27-18/h1-14H,15H2,(H2,26,33)(H,30,31,32).
What are the key properties of 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide?
5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 51030922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).